1-[(3-methoxyphenyl)methyl]-3-pyrrolidin-1-ylpiperidin-2-one

C17H24N2O2 — CID 71687072

IUPAC1-[(3-methoxyphenyl)methyl]-3-pyrrolidin-1-ylpiperidin-2-one
SMILESCOc1cccc(CN2CCCC(N3CCCC3)C2=O)c1
InChIInChI=1S/C17H24N2O2/c1-21-15-7-4-6-14(12-15)13-19-11-5-8-16(17(19)20)18-9-2-3-10-18/h4,6-7,12,16H,2-3,5,8-11,13H2,1H3
InChIKeyJWQLPNDQQHSCEP-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.28
Rot. Bonds4

About 1-[(3-methoxyphenyl)methyl]-3-pyrrolidin-1-ylpiperidin-2-one

1-[(3-methoxyphenyl)methyl]-3-pyrrolidin-1-ylpiperidin-2-one (PubChem CID 71687072) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-[(3-methoxyphenyl)methyl]-3-pyrrolidin-1-ylpiperidin-2-one.

Molecular Properties

Compound Name1-[(3-methoxyphenyl)methyl]-3-pyrrolidin-1-ylpiperidin-2-one
PubChem CID71687072
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name1-[(3-methoxyphenyl)methyl]-3-pyrrolidin-1-ylpiperidin-2-one
SMILESCOc1cccc(CN2CCCC(N3CCCC3)C2=O)c1
InChIInChI=1S/C17H24N2O2/c1-21-15-7-4-6-14(12-15)13-19-11-5-8-16(17(19)20)18-9-2-3-10-18/h4,6-7,12,16H,2-3,5,8-11,13H2,1H3
InChIKeyJWQLPNDQQHSCEP-UHFFFAOYSA-N
XLogP2.28
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(3-methoxyphenyl)methyl]-3-pyrrolidin-1-ylpiperidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(3-fluoro-4-methoxyphenyl)methyl]-3-pyrrolidin-1-ylpiperidin-2-one
CID 71836749
1-benzyl-3-(3-methoxyphenyl)azepan-2-one
CID 20565337
(3S,9R)-11-[(3-methoxyphenyl)methyl]-1,7,11-triazatricyclo[7.4.0.03,7]tridecane-2,8-dione
CID 126461245
1-[(3-methoxyphenyl)methyl]-4-[[(2R)-1-methylpyrrolidin-2-yl]methyl]piperazin-2-one
CID 124755697
(3S)-1-[(3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 9146852
(6aS)-5-[(3-methoxyphenyl)methyl]-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione
CID 16676400
1-[(3-methoxyphenyl)methyl]-4-sulfanylpyrrolidin-2-one
CID 168708642
4-[1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]pyridine
CID 122138322
6-[(3-methoxyphenyl)methyl]-2,3,4,4a,7,7a-hexahydro-1H-pyrrolo[3,4-b]pyridin-5-one
CID 103195894
5-(azepane-1-carbonyl)-1-[(3-methoxyphenyl)methyl]piperidin-2-one
CID 24790814
(4S)-1-[(3-methoxyphenyl)methyl]-4-[(2S)-2-methylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 93017947
3-cyclopropyl-1-[(3-methoxyphenyl)methyl]piperazine-2,5-dione
CID 64879252

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxyphenyl)methyl]-3-pyrrolidin-1-ylpiperidin-2-one?
The IUPAC name of 1-[(3-methoxyphenyl)methyl]-3-pyrrolidin-1-ylpiperidin-2-one (CID 71687072) is 1-[(3-methoxyphenyl)methyl]-3-pyrrolidin-1-ylpiperidin-2-one.
What is the SMILES notation for 1-[(3-methoxyphenyl)methyl]-3-pyrrolidin-1-ylpiperidin-2-one?
The canonical SMILES for 1-[(3-methoxyphenyl)methyl]-3-pyrrolidin-1-ylpiperidin-2-one is COc1cccc(CN2CCCC(N3CCCC3)C2=O)c1.
What is the InChIKey of 1-[(3-methoxyphenyl)methyl]-3-pyrrolidin-1-ylpiperidin-2-one?
The InChIKey is JWQLPNDQQHSCEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-21-15-7-4-6-14(12-15)13-19-11-5-8-16(17(19)20)18-9-2-3-10-18/h4,6-7,12,16H,2-3,5,8-11,13H2,1H3.
What are the key properties of 1-[(3-methoxyphenyl)methyl]-3-pyrrolidin-1-ylpiperidin-2-one?
1-[(3-methoxyphenyl)methyl]-3-pyrrolidin-1-ylpiperidin-2-one has a molecular weight of 288.39 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxyphenyl)methyl]-3-pyrrolidin-1-ylpiperidin-2-one is sourced from PubChem (CID 71687072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).